pterolinus F (CHEBI:67388)

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ChEBI Name	pterolinus F

ChEBI ID	CHEBI:67388

Definition	A benzoate ester that is methyl 2,5-dihydroxybenzoate substituted by a prop-2-en-1-yl group at position 4 which in turn is substituted by a 3-hydroxy-4-methoxyphenyl substituent at position 1. It has been isolated from Pterocarpus santalinus.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O6

Net Charge

Average Mass

330.33190

Monoisotopic Mass

330.11034

InChI

InChI=1S/C18H18O6/c1-4-11(10-5-6-17(23-2)16(21)7-10)12-8-15(20)13(9-14(12)19)18(22)24-3/h4-9,11,19-21H,1H2,2-3H3/t11-/m0/s1

InChIKey

OROYBJUZDRBHII-NSHDSACASA-N

SMILES

COC(=O)c1cc(O)c(cc1O)[C@@H](C=C)c1ccc(OC)c(O)c1

Metabolite of Species	Details
Pterocarpus santalinus (NCBI:txid1071199)	Found in heartwood (PO:0004512). Dichloromethane soluble portion of MeOH extract of powdered heartwood See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	pterolinus F (CHEBI:67388) has role metabolite (CHEBI:25212) pterolinus F (CHEBI:67388) has role plant metabolite (CHEBI:76924) pterolinus F (CHEBI:67388) is a aromatic ether (CHEBI:35618) pterolinus F (CHEBI:67388) is a benzoate ester (CHEBI:36054) pterolinus F (CHEBI:67388) is a hydroquinones (CHEBI:24646)

IUPAC Name

methyl 2,5-dihydroxy-4-[(1S)-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-yl]benzoate

Registry Number	Type	Source
21548612	Reaxys Registry Number	Reaxys

Citation	Type	Source
21488654	PubMed citation	Europe PMC

Last Modified

05 November 2013